Geometry & MOs

Info

ID:	154328
PubChem CID:	56313744
Reduced:	N2F3O4C23H33 (1)
Stoich.:	A2B3C4D23E33 (1)
Weight, g/mol:	423.159434
ΔH_f, kcal/mol:	-324.64
Dipole, Da:	6.4
IP(EA), eV:	-8.35(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[2-(2-methoxyethoxy)pyridin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations